N-anilino-2-oxo-N'-phenylpropanimidamide

C15H15N3O — CID 10857993

IUPACN-anilino-2-oxo-N'-phenylpropanimidamide
SMILESCC(=O)/C(=N\c1ccccc1)NNc1ccccc1
InChIInChI=1S/C15H15N3O/c1-12(19)15(16-13-8-4-2-5-9-13)18-17-14-10-6-3-7-11-14/h2-11,17H,1H3,(H,16,18)
InChIKeyWZOWHQDAPHJDPZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.92
Rot. Bonds4

About N-anilino-2-oxo-N'-phenylpropanimidamide

N-anilino-2-oxo-N'-phenylpropanimidamide (PubChem CID 10857993) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-anilino-2-oxo-N'-phenylpropanimidamide.

Molecular Properties

Compound NameN-anilino-2-oxo-N'-phenylpropanimidamide
PubChem CID10857993
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-anilino-2-oxo-N'-phenylpropanimidamide
SMILESCC(=O)/C(=N\c1ccccc1)NNc1ccccc1
InChIInChI=1S/C15H15N3O/c1-12(19)15(16-13-8-4-2-5-9-13)18-17-14-10-6-3-7-11-14/h2-11,17H,1H3,(H,16,18)
InChIKeyWZOWHQDAPHJDPZ-UHFFFAOYSA-N
XLogP2.92
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-anilino-2-oxo-N'-phenylpropanimidamide?
The IUPAC name of N-anilino-2-oxo-N'-phenylpropanimidamide (CID 10857993) is N-anilino-2-oxo-N'-phenylpropanimidamide.
What is the SMILES notation for N-anilino-2-oxo-N'-phenylpropanimidamide?
The canonical SMILES for N-anilino-2-oxo-N'-phenylpropanimidamide is CC(=O)/C(=N\c1ccccc1)NNc1ccccc1.
What is the InChIKey of N-anilino-2-oxo-N'-phenylpropanimidamide?
The InChIKey is WZOWHQDAPHJDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-12(19)15(16-13-8-4-2-5-9-13)18-17-14-10-6-3-7-11-14/h2-11,17H,1H3,(H,16,18).
What are the key properties of N-anilino-2-oxo-N'-phenylpropanimidamide?
N-anilino-2-oxo-N'-phenylpropanimidamide has a molecular weight of 253.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilino-2-oxo-N'-phenylpropanimidamide is sourced from PubChem (CID 10857993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).